[2-fluoro-4-(1-methylbenzimidazol-5-yl)phenyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone

C23H23FN4O3 — CID 118621873

IUPAC[2-fluoro-4-(1-methylbenzimidazol-5-yl)phenyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone
SMILESCn1cnc2cc(-c3ccc(C(=O)N4CCN(C(=O)C5(O)CC5)CC4)c(F)c3)ccc21
InChIInChI=1S/C23H23FN4O3/c1-26-14-25-19-13-16(3-5-20(19)26)15-2-4-17(18(24)12-15)21(29)27-8-10-28(11-9-27)22(30)23(31)6-7-23/h2-5,12-14,31H,6-11H2,1H3
InChIKeyGBKADBUMPBRZOS-UHFFFAOYSA-N
MW422.46 g/mol
LogP2.19
Rot. Bonds3

About [2-fluoro-4-(1-methylbenzimidazol-5-yl)phenyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone

[2-fluoro-4-(1-methylbenzimidazol-5-yl)phenyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone (PubChem CID 118621873) has the molecular formula C23H23FN4O3 and a molecular weight of 422.46 g/mol. Its IUPAC name is [2-fluoro-4-(1-methylbenzimidazol-5-yl)phenyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[2-fluoro-4-(1-methylbenzimidazol-5-yl)phenyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone
PubChem CID118621873
Molecular FormulaC23H23FN4O3
Molecular Weight422.46 g/mol
Exact Mass422.18
IUPAC Name[2-fluoro-4-(1-methylbenzimidazol-5-yl)phenyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone
SMILESCn1cnc2cc(-c3ccc(C(=O)N4CCN(C(=O)C5(O)CC5)CC4)c(F)c3)ccc21
InChIInChI=1S/C23H23FN4O3/c1-26-14-25-19-13-16(3-5-20(19)26)15-2-4-17(18(24)12-15)21(29)27-8-10-28(11-9-27)22(30)23(31)6-7-23/h2-5,12-14,31H,6-11H2,1H3
InChIKeyGBKADBUMPBRZOS-UHFFFAOYSA-N
XLogP2.19
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.46
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-fluoro-N-[(Z)-4-(1-hydroxycyclopropanecarbonyl)hex-3-enyl]-4-(1-methylbenzimidazol-5-yl)-N-propylbenzamide
CID 142573940
2-fluoro-4-(1-methylbenzimidazol-5-yl)benzaldehyde
CID 59474411
[4-(1-aminocyclobutanecarbonyl)piperazin-1-yl]-[2-fluoro-4-(1-methylindazol-6-yl)phenyl]methanone
CID 118621425
8-[4-(1-methylbenzimidazol-5-yl)benzoyl]-5,8,11-triazaspiro[3.8]dodecan-12-one
CID 155267696
[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-[2-fluoro-4-(1-methyl-2,3-dihydrobenzimidazol-5-yl)phenyl]methanone
CID 118639745
[4-[3-(5-amino-2-cyclononyl-1,2-oxazolidin-3-yl)phenyl]-2-fluorophenyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone
CID 146244634
(2-fluoro-4-pyridin-4-ylphenyl)-pyrrolidin-1-ylmethanone
CID 143120198
[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-(2-methoxy-4-quinolin-3-ylphenyl)methanone
CID 86275797
[4-(1-aminocyclobutanecarbonyl)piperazin-1-yl]-[2-fluoro-4-(1-methyl-2,3-dihydrobenzimidazol-5-yl)phenyl]methanone
CID 118639685
[4-(6-chloro-1,3-benzoxazol-2-yl)phenyl]-[(3S)-4-(1-hydroxycyclopropanecarbonyl)-3-methylpiperazin-1-yl]methanone;[4-(6-fluoro-1,3-benzoxazol-2-yl)phenyl]-[(3R)-4-[1-(1-hydroxycyclopropyl)ethenyl]-3-methylpiperazin-1-yl]methanone;[2-fluoro-4-(1-methylbenzimidazol-5-yl)phenyl]-[(3S)-3-methyl-4-(1-methylcyclopropanecarbonyl)piperazin-1-yl]methanone;[2-fluoro-4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-[(3S)-4-(1-hydroxycyclopropanecarbonyl)-3-methylpiperazin-1-yl]methanone;[(3R,5S)-4-(1-hydroxycyclopropanecarbonyl)-3,5-dimethylpiperazin-1-yl]-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]methanone;[(3S)-4-(1-hydroxycyclopropanecarbonyl)-3-methylpiperazin-1-yl]-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]methanone
CID 157300546
7-[4-(1,3-dimethylindazol-5-yl)-2-fluorobenzoyl]-4,7,10-triazaspiro[2.8]undecan-11-one
CID 155267691
3-[[1-(1-hydroxycyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-5,5-dimethyl-2-[2-methyl-4-(1-methylbenzimidazol-5-yl)phenyl]imidazol-4-one
CID 118125423

Frequently Asked Questions

What is the IUPAC name of [2-fluoro-4-(1-methylbenzimidazol-5-yl)phenyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone?
The IUPAC name of [2-fluoro-4-(1-methylbenzimidazol-5-yl)phenyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone (CID 118621873) is [2-fluoro-4-(1-methylbenzimidazol-5-yl)phenyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for [2-fluoro-4-(1-methylbenzimidazol-5-yl)phenyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone?
The canonical SMILES for [2-fluoro-4-(1-methylbenzimidazol-5-yl)phenyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone is Cn1cnc2cc(-c3ccc(C(=O)N4CCN(C(=O)C5(O)CC5)CC4)c(F)c3)ccc21.
What is the InChIKey of [2-fluoro-4-(1-methylbenzimidazol-5-yl)phenyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone?
The InChIKey is GBKADBUMPBRZOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O3/c1-26-14-25-19-13-16(3-5-20(19)26)15-2-4-17(18(24)12-15)21(29)27-8-10-28(11-9-27)22(30)23(31)6-7-23/h2-5,12-14,31H,6-11H2,1H3.
What are the key properties of [2-fluoro-4-(1-methylbenzimidazol-5-yl)phenyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone?
[2-fluoro-4-(1-methylbenzimidazol-5-yl)phenyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone has a molecular weight of 422.46 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-4-(1-methylbenzimidazol-5-yl)phenyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 118621873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).